SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'HTL'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 6 LEU A 157
ASP A 182
MET A  93
HIS A  64
 HTL  A 827 (-3.9A)
MG  A 826 ( 2.8A)
None
HTL  A 827 (-4.3A)
 1.24A 1errB-3ahiA:
undetectable		 1errB-3ahiA:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 8 LEU A 157
LEU A 161
GLU A 186
TRP A 194
 HTL  A 827 (-3.9A)
None
None
None
 1.11A 1i7zA-3ahiA:
undetectable		 1i7zA-3ahiA:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7I_A_017A200_2
(POL POLYPROTEIN)		 6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE
(Moorella
thermoacetica) 		4 / 7 ASP A 994
GLY A 836
ILE A 840
THR A 815
 None
HTL  A1204 (-3.4A)
None
None
 0.79A 1t7iB-6cipA:
undetectable		 1t7iB-6cipA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7J_A_478A200_2
(POL POLYPROTEIN)		 6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE
(Moorella
thermoacetica) 		4 / 7 ASP A 994
GLY A 836
ILE A 840
THR A 815
 None
HTL  A1204 (-3.4A)
None
None
 0.79A 1t7jB-6cipA:
undetectable		 1t7jB-6cipA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WG8_B_SAMB3141_0
(PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE)		 6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE
(Moorella
thermoacetica) 		5 / 12 GLY A 965
GLY A 966
GLY A 968
PHE A 872
SER A 838
 None
HTL  A1204 (-3.5A)
HTL  A1204 (-3.3A)
None
HTL  A1204 ( 4.6A)
 0.99A 1wg8B-6cipA:
2.9		 1wg8B-6cipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JFA_A_RALA600_2
(ESTROGEN RECEPTOR)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 5 LEU A 157
ASP A 182
MET A  93
HIS A  64
 HTL  A 827 (-3.9A)
MG  A 826 ( 2.8A)
None
HTL  A 827 (-4.3A)
 1.16A 2jfaA-3ahiA:
undetectable		 2jfaA-3ahiA:
16.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QXS_A_RALA600_2
(ESTROGEN RECEPTOR)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 5 LEU A 157
ASP A 182
MET A  93
HIS A  64
 HTL  A 827 (-3.9A)
MG  A 826 ( 2.8A)
None
HTL  A 827 (-4.3A)
 1.23A 2qxsA-3ahiA:
undetectable		 2qxsA-3ahiA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QXS_B_RALB600_2
(ESTROGEN RECEPTOR)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 5 LEU A 157
ASP A 182
MET A  93
HIS A  64
 HTL  A 827 (-3.9A)
MG  A 826 ( 2.8A)
None
HTL  A 827 (-4.3A)
 1.22A 2qxsB-3ahiA:
undetectable		 2qxsB-3ahiA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_A_H3PA552_1
(GLUTAMATE
DEHYDROGENASE)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 6 ILE A 295
TYR A 242
ILE A 180
HIS A 213
 None
None
None
HTL  A 827 ( 4.3A)
 1.05A 3eteA-3ahiA:
undetectable
3eteE-3ahiA:
undetectable		 3eteA-3ahiA:
21.10
3eteE-3ahiA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_C_H3PC554_1
(GLUTAMATE
DEHYDROGENASE)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 5 ILE A 295
TYR A 242
ILE A 180
HIS A 213
 None
None
None
HTL  A 827 ( 4.3A)
 1.04A 3eteB-3ahiA:
undetectable
3eteC-3ahiA:
undetectable		 3eteB-3ahiA:
21.10
3eteC-3ahiA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ETE_F_H3PF552_1
(GLUTAMATE
DEHYDROGENASE)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 7 ILE A 180
HIS A 213
ILE A 295
TYR A 242
 None
HTL  A 827 ( 4.3A)
None
None
 1.06A 3eteD-3ahiA:
undetectable
3eteF-3ahiA:
undetectable		 3eteD-3ahiA:
21.10
3eteF-3ahiA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDR_A_GJZA506_1
(CHOLESTEROL
24-HYDROXYLASE)		 6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE
(Moorella
thermoacetica) 		4 / 6 LEU A 119
ILE A 840
THR A1001
THR A  29
 None
None
HTL  A1204 ( 4.2A)
None
 0.88A 3mdrA-6cipA:
undetectable		 3mdrA-6cipA:
10.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_A_SAMA6735_0
(16S RRNA METHYLASE)		 6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE
(Moorella
thermoacetica) 		5 / 12 GLY A  87
ALA A 126
ALA A 113
PHE A 866
THR A 116
 HTL  A1204 ( 4.6A)
None
None
HTL  A1204 (-4.2A)
None
 0.98A 3p2kA-6cipA:
undetectable		 3p2kA-6cipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UCB_B_017B202_1
(PROTEASE)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 7 TRP A 194
PRO A 210
GLY A  94
PRO A  95
 None
None
None
HTL  A 827 ( 4.7A)
 1.24A 3ucbB-3ahiA:
undetectable		 3ucbB-3ahiA:
8.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KT0_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		5 / 11 GLY A 181
ALA A 160
GLY A  96
ILE A 598
LEU A 562
 HTL  A 827 (-3.3A)
None
None
None
None
 0.98A 4kt0A-3ahiA:
undetectable
4kt0J-3ahiA:
undetectable		 4kt0A-3ahiA:
21.94
4kt0J-3ahiA:
4.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N49_A_SAMA601_0
(CAP-SPECIFIC MRNA
(NUCLEOSIDE-2'-O-)-M
ETHYLTRANSFERASE 1)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		5 / 12 GLY A  94
PRO A  95
GLY A  96
PHE A 143
LEU A 161
 None
HTL  A 827 ( 4.7A)
None
None
None
 0.99A 4n49A-3ahiA:
2.3		 4n49A-3ahiA:
19.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		 6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE
(Moorella
thermoacetica) 		5 / 10 GLY A  87
GLN A  86
ALA A 126
ASP A 124
ALA A 111
 HTL  A1204 ( 4.6A)
None
None
None
None
 1.36A 4wnuD-6cipA:
undetectable		 4wnuD-6cipA:
12.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YDQ_B_HFGB802_0
(PROLINE--TRNA LIGASE)		 6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE
(Moorella
thermoacetica) 		5 / 12 PHE A 122
PRO A  30
THR A  29
ARG A 112
GLY A 836
 None
None
None
HTL  A1204 (-3.1A)
HTL  A1204 (-3.4A)
 1.22A 4ydqB-6cipA:
2.7		 4ydqB-6cipA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IK1_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		 3ahi XYLULOSE
5-PHOSPHATE/FRUCTOSE
6-PHOSPHATE
PHOSPHOKETOLASE
(Bifidobacterium
breve) 		4 / 5 PHE A 237
LEU A 190
GLY A 181
ILE A 295
 None
None
HTL  A 827 (-3.3A)
None
 0.81A 5ik1A-3ahiA:
undetectable		 5ik1A-3ahiA:
19.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DEB_B_MTXB303_1
(BIFUNCTIONAL PROTEIN
FOLD)		 6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE
(Moorella
thermoacetica) 		4 / 5 TYR A 998
GLN A1004
GLY A  64
ILE A 973
 HTL  A1204 (-4.5A)
None
None
None
 1.02A 6debB-6cipA:
2.5		 6debB-6cipA:
19.54